CAS RN: 300675-28-9
7,8-dichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260128 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS300675-28-9
- Purity/Analytical Methods: >99.0%
300675-28-9 / 7,8-dichloro-4-oxo-1H-quinoline-3-carboxylic acid
Basic Information
CAS
300675-28-9
Multi CAS
Yes
Molecular Formula
C10H5CL2NO3
Molecular Weight
258.050000
Exact Mass
256.964648
InChI
InChI=1S/C10H5Cl2NO3/c11-6-2-1-4-8(7(6)12)13-3-5(9(4)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey
HVXHDYSWCHQWBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.55
TPSA
70.16
LogP / Solubility
WLOGP
2.53
MLOGP
2.24
XLogP3
3.1
Consensus LogP
2.62
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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